Table 1 Evaluation of model performance on hold-out test set.

R2 is the coefficient of determination. Sizes are the number of samples in the training set or test set for each gas. The ML package used was Scikit-learn.

GasTraining sizeTraining R2Test sizeTest R2
N25140.9861720.847
O25230.9851750.903
H23240.9851090.827
He2820.980940.799
CH44200.9901410.904
CO24710.9861580.875